
 Methylfurmetide

 28 27  0  0  0  0  0  0  0  0999 V2000
    0.9078    1.1616   -1.3050 C   0  0  0  0  0
    2.2567    0.6416   -0.9371 C   0  0  0  0  0
    3.3084    1.3817   -0.4349 C   0  0  0  0  0
    4.3417    0.4902   -0.2488 C   0  0  0  0  0
    3.8572   -0.7427   -0.6442 C   0  0  0  0  0
    2.6147   -0.6163   -1.0526 O   0  0  0  0  0
    4.6332   -2.0381   -0.6373 C   0  0  0  0  0
    4.0871   -3.0874    0.2754 N   0  0  0  0  0
    4.0690   -2.6031    1.6760 C   0  0  0  0  0
    2.7208   -3.5041   -0.1224 C   0  0  0  0  0
    4.9738   -4.2732    0.1977 C   0  0  0  0  0
    3.5560    0.8252    3.8629 I   0  0  0  0  0
    0.8451    2.2546   -1.1198 H   0  0  0  0  0
    0.1354    0.6465   -0.6969 H   0  0  0  0  0
    0.7174    0.9654   -2.3807 H   0  0  0  0  0
    3.3225    2.4441   -0.2305 H   0  0  0  0  0
    5.3303    0.7136    0.1303 H   0  0  0  0  0
    5.6817   -1.8027   -0.3409 H   0  0  0  0  0
    4.6696   -2.4142   -1.6843 H   0  0  0  0  0
    5.0855   -2.2905    2.0045 H   0  0  0  0  0
    3.7128   -3.3968    2.3706 H   0  0  0  0  0
    3.3879   -1.7323    1.7924 H   0  0  0  0  0
    2.6954   -3.8284   -1.1865 H   0  0  0  0  0
    1.9827   -2.6879    0.0164 H   0  0  0  0  0
    2.3642   -4.3529    0.5037 H   0  0  0  0  0
    5.0102   -4.6791   -0.8386 H   0  0  0  0  0
    4.6190   -5.0886    0.8681 H   0  0  0  0  0
    6.0143   -4.0193    0.5012 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  2  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  8 11  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  9 20  1  0  0  0
  9 21  1  0  0  0
  9 22  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
M  CHG  2   8   1  12  -1
M  END

>  <Chemical Name>
Methylfurmetide

>  <PubChem CID>
70973

>  <Formula>
C9H16INO

>  <Molecular Weight>
281.137000

>  <IUPAC Name>
trimethyl-[(5-methylfuran-2-yl)methyl]azanium;iodide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=C(O1)C[N+](C)(C)C.[I-]

>  <Isomeric SMILES>
CC1=CC=C(O1)C[N+](C)(C)C.[I-]

>  <InChI Std. ID>
InChI=1S/C9H16NO.HI/c1-8-5-6-9(11-8)7-10(2,3)4;/h5-6H,7H2,1-4H3;1H/q+1;/p-1

>  <InChI Key>
IHTCZSNKQINGDD-UHFFFAOYSA-M

